ethyl 4-methyl-3-[2-[methylsulfonyl-(4-phenoxyphenyl)amino]propanoylamino]benzoate

Systemtic Name: ethyl 4-methyl-3-[2-[methylsulfonyl-(4-phenoxyphenyl)amino]propanoylamino]benzoate Openeye Name: ethyl 4-methyl-3-[2-(N-methylsulfonyl-4-phenoxy-anilino)propanoylamino]benzoate CAS Name: 4-methyl-3-[[2-(N-methylsulfonyl-4-phenoxyanilino)-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-methyl-3-[2-(N-methylsulfonyl-4-phenoxyanilino)propanoylamino]benzoate Traditional Name: 3-[2-(N-mesyl-4-phenoxy-anilino)propanoylamino]-4-methyl-benzoic acid ethyl ester Formula: C26H28N2O6S MolecularWeight: 496.57532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N(C2=CC=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N(C2=CC=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C26H28N2O6S/c1-5-33-26(30)20-12-11-18(2)24(17-20)27-25(29)19(3)28(35(4,31)32)21-13-15-23(16-14-21)34-22-9-7-6-8-10-22/h6-17,19H,5H2,1-4H3,(H,27,29)